BDBM477921 6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-3-morpholino-3-oxoprop-1-en-1-yl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)ethynyl)-5-fluoronicotinonitrile::US10889581, Example 124

SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(cc1F)C#N

InChI Key InChIKey=NGFGTPHIPOZBPD-HZQXDJCGSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 477921   

TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM477921(6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Affinity DataIC50:  49nMAssay Description:The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCathepsin D(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM477921(6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Affinity DataIC50:  3.35E+5nMAssay Description:Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM477921(6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Affinity DataIC50:  37nMAssay Description:The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent